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Alkylated Benzodithienoquinolizinium Salts as Possible Non-Fullerene Organic N-Type Semiconductors: An Experimental and Theoretical Study
Three photobicyclized benzodithienoquinolizinium tetrafluoroborates (BPDTQBF4) were prepared and evaluated by UV–Vis and fluorescence spectral, electrochemical analysis, and by theoretical calculations as possible organic n-type semiconductors. Evaluation and comparison of their LUMO levels, HOMO-LU...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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MDPI
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8584425/ https://www.ncbi.nlm.nih.gov/pubmed/34771765 http://dx.doi.org/10.3390/ma14216239 |
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author | Aracena, Andrés Rezende, Marcos Caroli García, Macarena Muñoz-Becerra, Karina Wrighton-Araneda, Kerry Valdebenito, Cristian Celis, Freddy Vásquez, Octavio |
author_facet | Aracena, Andrés Rezende, Marcos Caroli García, Macarena Muñoz-Becerra, Karina Wrighton-Araneda, Kerry Valdebenito, Cristian Celis, Freddy Vásquez, Octavio |
author_sort | Aracena, Andrés |
collection | PubMed |
description | Three photobicyclized benzodithienoquinolizinium tetrafluoroborates (BPDTQBF4) were prepared and evaluated by UV–Vis and fluorescence spectral, electrochemical analysis, and by theoretical calculations as possible organic n-type semiconductors. Evaluation and comparison of their LUMO levels, HOMO-LUMO energy gaps as monomeric and π-stacked dimers with those of other materials, suggest their potential as organic n-type semiconductors. Calculations of their relative charge carrier mobilities confirmed this potential for one derivative with a long (C-14) alkyl chain appended to the polycyclic planar π-system. |
format | Online Article Text |
id | pubmed-8584425 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-85844252021-11-12 Alkylated Benzodithienoquinolizinium Salts as Possible Non-Fullerene Organic N-Type Semiconductors: An Experimental and Theoretical Study Aracena, Andrés Rezende, Marcos Caroli García, Macarena Muñoz-Becerra, Karina Wrighton-Araneda, Kerry Valdebenito, Cristian Celis, Freddy Vásquez, Octavio Materials (Basel) Article Three photobicyclized benzodithienoquinolizinium tetrafluoroborates (BPDTQBF4) were prepared and evaluated by UV–Vis and fluorescence spectral, electrochemical analysis, and by theoretical calculations as possible organic n-type semiconductors. Evaluation and comparison of their LUMO levels, HOMO-LUMO energy gaps as monomeric and π-stacked dimers with those of other materials, suggest their potential as organic n-type semiconductors. Calculations of their relative charge carrier mobilities confirmed this potential for one derivative with a long (C-14) alkyl chain appended to the polycyclic planar π-system. MDPI 2021-10-20 /pmc/articles/PMC8584425/ /pubmed/34771765 http://dx.doi.org/10.3390/ma14216239 Text en © 2021 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Aracena, Andrés Rezende, Marcos Caroli García, Macarena Muñoz-Becerra, Karina Wrighton-Araneda, Kerry Valdebenito, Cristian Celis, Freddy Vásquez, Octavio Alkylated Benzodithienoquinolizinium Salts as Possible Non-Fullerene Organic N-Type Semiconductors: An Experimental and Theoretical Study |
title | Alkylated Benzodithienoquinolizinium Salts as Possible Non-Fullerene Organic N-Type Semiconductors: An Experimental and Theoretical Study |
title_full | Alkylated Benzodithienoquinolizinium Salts as Possible Non-Fullerene Organic N-Type Semiconductors: An Experimental and Theoretical Study |
title_fullStr | Alkylated Benzodithienoquinolizinium Salts as Possible Non-Fullerene Organic N-Type Semiconductors: An Experimental and Theoretical Study |
title_full_unstemmed | Alkylated Benzodithienoquinolizinium Salts as Possible Non-Fullerene Organic N-Type Semiconductors: An Experimental and Theoretical Study |
title_short | Alkylated Benzodithienoquinolizinium Salts as Possible Non-Fullerene Organic N-Type Semiconductors: An Experimental and Theoretical Study |
title_sort | alkylated benzodithienoquinolizinium salts as possible non-fullerene organic n-type semiconductors: an experimental and theoretical study |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8584425/ https://www.ncbi.nlm.nih.gov/pubmed/34771765 http://dx.doi.org/10.3390/ma14216239 |
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